ethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate

C21H25N3O6 — CID 67691309

IUPACethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(OC(=O)NC(=O)CN)c(OCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H25N3O6/c1-4-28-20(26)16-9-17(19(23-11-16)30-21(27)24-18(25)10-22)29-12-14-5-7-15(8-6-14)13(2)3/h5-9,11,13H,4,10,12,22H2,1-3H3,(H,24,25,27)
InChIKeyZYNAAJKJZHRUNA-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.53
Rot. Bonds8

About ethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate

ethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate (PubChem CID 67691309) has the molecular formula C21H25N3O6 and a molecular weight of 415.45 g/mol. Its IUPAC name is ethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate
PubChem CID67691309
Molecular FormulaC21H25N3O6
Molecular Weight415.45 g/mol
Exact Mass415.17
IUPAC Nameethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(OC(=O)NC(=O)CN)c(OCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H25N3O6/c1-4-28-20(26)16-9-17(19(23-11-16)30-21(27)24-18(25)10-22)29-12-14-5-7-15(8-6-14)13(2)3/h5-9,11,13H,4,10,12,22H2,1-3H3,(H,24,25,27)
InChIKeyZYNAAJKJZHRUNA-UHFFFAOYSA-N
XLogP2.53
TPSA129.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate with MolForge

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Related Compounds

pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-chlorophenyl)methoxy]pyridine-3-carboxylate
CID 67690914
ethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 118408203
(3,5-diethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
CID 67691049
(3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
CID 22363670
ethyl 4-[[3-oxo-3-(4-propan-2-ylanilino)propanoyl]amino]benzoate
CID 108954393
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450
ethyl 4-[[2-methyl-6-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]benzoate
CID 112877726
ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate
CID 133062104
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate
CID 71144248
5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923812
[2-(ethoxycarbonylamino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 8021617

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate (CID 67691309) is ethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate is CCOC(=O)c1cnc(OC(=O)NC(=O)CN)c(OCc2ccc(C(C)C)cc2)c1.
What is the InChIKey of ethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate?
The InChIKey is ZYNAAJKJZHRUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6/c1-4-28-20(26)16-9-17(19(23-11-16)30-21(27)24-18(25)10-22)29-12-14-5-7-15(8-6-14)13(2)3/h5-9,11,13H,4,10,12,22H2,1-3H3,(H,24,25,27).
What are the key properties of ethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate?
ethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate has a molecular weight of 415.45 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate is sourced from PubChem (CID 67691309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).